1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea

C20H17ClN2O — CID 108866984

IUPAC1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C20H17ClN2O/c1-14-7-10-18(13-19(14)21)23-20(24)22-17-11-8-16(9-12-17)15-5-3-2-4-6-15/h2-13H,1H3,(H2,22,23,24)
InChIKeyCCGHBMMRCXHAFD-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.96
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea

1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea (PubChem CID 108866984) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
PubChem CID108866984
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C20H17ClN2O/c1-14-7-10-18(13-19(14)21)23-20(24)22-17-11-8-16(9-12-17)15-5-3-2-4-6-15/h2-13H,1H3,(H2,22,23,24)
InChIKeyCCGHBMMRCXHAFD-UHFFFAOYSA-N
XLogP5.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methylphenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286290
1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea
CID 23987254
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387989
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-phenylbenzamide
CID 2209632
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651885
1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea
CID 55910837
1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
CID 108888748

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea (CID 108866984) is 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea?
The InChIKey is CCGHBMMRCXHAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-14-7-10-18(13-19(14)21)23-20(24)22-17-11-8-16(9-12-17)15-5-3-2-4-6-15/h2-13H,1H3,(H2,22,23,24).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea?
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea has a molecular weight of 336.82 g/mol, XLogP of 5.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea is sourced from PubChem (CID 108866984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).